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{
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{
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{
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"structure_string": "Ti2 P4 S12\n1.0\n0.000000 5.753071 10.640420\n4.081843 0.000000 10.640420\n4.081843 5.753071 0.000000\nTi P S\n2 4 12\ndirect\n0.847213 0.851205 0.151408 Ti\n0.101298 0.102104 0.405477 Ti\n0.524214 0.850579 0.350812 P\n0.891673 0.980879 0.740584 P\n0.973321 0.897963 0.398552 P\n0.850457 0.524909 0.272415 P\n0.128528 0.724261 0.828157 S\n0.723370 0.132329 0.324562 S\n0.535165 0.011023 0.420413 S\n0.011100 0.529377 0.040338 S\n0.203901 0.835777 0.243879 S\n0.830589 0.209776 0.712634 S\n0.915620 0.315622 0.161443 S\n0.307145 0.920096 0.614676 S\n0.642803 0.089425 0.941182 S\n0.089773 0.640814 0.335843 S\n0.420683 0.928254 0.117588 S\n0.916922 0.434696 0.530959 S\n",
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{
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{
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"structure_string": "Na8 Ca2 P12 O36\n1.0\n4.056530 6.640199 0.000000\n-4.056530 6.640199 0.000000\n0.000000 1.093006 14.427456\nNa Ca P O\n8 2 12 36\ndirect\n0.214943 0.460705 0.454584 Na\n0.539295 0.785057 0.045416 Na\n0.785057 0.539295 0.545416 Na\n0.460705 0.214943 0.954584 Na\n0.708831 0.959110 0.416573 Na\n0.040890 0.291169 0.083427 Na\n0.291169 0.040890 0.583427 Na\n0.959110 0.708831 0.916573 Na\n0.377562 0.622438 0.750000 Ca\n0.622438 0.377562 0.250000 Ca\n0.958327 0.855545 0.615118 P\n0.144455 0.041673 0.884882 P\n0.041673 0.144455 0.384882 P\n0.855545 0.958327 0.115118 P\n0.634074 0.910937 0.747520 P\n0.089063 0.365926 0.752480 P\n0.365926 0.089063 0.252480 P\n0.910937 0.634074 0.247520 P\n0.605081 0.220973 0.611231 P\n0.779027 0.394919 0.888769 P\n0.394919 0.779027 0.388769 P\n0.220973 0.605081 0.111231 P\n0.160998 0.813304 0.634657 O\n0.186696 0.839002 0.865343 O\n0.839002 0.186696 0.365343 O\n0.813304 0.160998 0.134657 O\n0.921325 0.758607 0.537989 O\n0.241393 0.078675 0.962011 O\n0.078675 0.241393 0.462011 O\n0.758607 0.921325 0.037989 O\n0.837928 0.089600 0.599849 O\n0.910400 0.162072 0.900151 O\n0.162072 0.910400 0.400151 O\n0.089600 0.837928 0.099849 O\n0.860355 0.820269 0.712398 O\n0.179731 0.139645 0.787602 O\n0.139645 0.179731 0.287602 O\n0.820269 0.860355 0.212398 O\n0.534442 0.818361 0.698054 O\n0.181639 0.465558 0.801946 O\n0.465558 0.181639 0.301946 O\n0.818361 0.534442 0.198054 O\n0.630021 0.907033 0.850746 O\n0.092967 0.369979 0.649254 O\n0.369979 0.092967 0.149254 O\n0.907033 0.630021 0.350746 O\n0.555984 0.134700 0.709332 O\n0.865300 0.444016 0.790668 O\n0.444016 0.865300 0.290668 O\n0.134700 0.555984 0.209332 O\n0.572335 0.422179 0.628399 O\n0.577821 0.427665 0.871601 O\n0.427665 0.577821 0.371601 O\n0.422179 0.572335 0.128399 O\n0.504896 0.187509 0.534360 O\n0.812491 0.495104 0.965640 O\n0.495104 0.812491 0.465640 O\n0.187509 0.504896 0.034360 O\n",
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{
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